(5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile

C22H14N2O3 — CID 7320602

IUPAC(5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cccc3ccccc23)o1
InChIInChI=1S/C22H14N2O3/c1-13-18(21(25)24-22(26)19(13)12-23)11-15-9-10-20(27-15)17-8-4-6-14-5-2-3-7-16(14)17/h2-11H,1H3,(H,24,25,26)/b18-11-
InChIKeyYMKOUVGSDDXZKL-WQRHYEAKSA-N
MW354.37 g/mol
LogP3.98
Rot. Bonds2

About (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile

(5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile (PubChem CID 7320602) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
PubChem CID7320602
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name(5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile
SMILESCC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cccc3ccccc23)o1
InChIInChI=1S/C22H14N2O3/c1-13-18(21(25)24-22(26)19(13)12-23)11-15-9-10-20(27-15)17-8-4-6-14-5-2-3-7-16(14)17/h2-11H,1H3,(H,24,25,26)/b18-11-
InChIKeyYMKOUVGSDDXZKL-WQRHYEAKSA-N
XLogP3.98
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_C(11)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(5Z)-5-[[5-(2-iodophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 50886157
2-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
CID 3472759
(5E)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 50886035
(5E)-4-methyl-2,6-dioxo-5-[[5-(4-phenyldiazenylphenyl)furan-2-yl]methylidene]pyridine-3-carbonitrile
CID 50883764
4-methyl-2,6-dioxo-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]pyridine-3-carbonitrile
CID 3952279
(5Z)-5-[[5-(4-iodo-3-methylphenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 50886180
benzyl 5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
CID 50884251
dibenzyl 5-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 50886156
(5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 5292569
benzyl 2-chloro-5-[5-[(E)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
CID 6264757
butyl 5-bromo-2-[5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]furan-2-yl]benzoate
CID 50884093
(5Z)-5-[[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
CID 21230302

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The IUPAC name of (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile (CID 7320602) is (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile.
What is the SMILES notation for (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The canonical SMILES for (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile is CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cccc3ccccc23)o1.
What is the InChIKey of (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
The InChIKey is YMKOUVGSDDXZKL-WQRHYEAKSA-N. The full InChI is InChI=1S/C22H14N2O3/c1-13-18(21(25)24-22(26)19(13)12-23)11-15-9-10-20(27-15)17-8-4-6-14-5-2-3-7-16(14)17/h2-11H,1H3,(H,24,25,26)/b18-11-.
What are the key properties of (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile?
(5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 354.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methyl-5-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 7320602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).